| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-02 15:02:30 UTC |
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| Updated at | 2022-09-02 15:02:30 UTC |
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| NP-MRD ID | NP0157619 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1e,4r,7r,8s,11e,15s)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1(14),11-diene |
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| Description | (1e,4r,7r,8s,11e,15s)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1(14),11-diene is found in Dictyota ciliolata. |
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| Structure | COC1O[C@H]2OC[C@H](CCC=C(C)C)[C@@H]3CC\C(C)=C/C\C=C1/[C@@H]23 InChI=1S/C21H32O3/c1-14(2)7-5-9-16-13-23-21-19-17(16)12-11-15(3)8-6-10-18(19)20(22-4)24-21/h7-8,10,16-17,19-21H,5-6,9,11-13H2,1-4H3/b15-8-,18-10+/t16-,17-,19-,20?,21+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C21H32O3 |
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| Average Mass | 332.4840 Da |
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| Monoisotopic Mass | 332.23514 Da |
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| IUPAC Name | (1E,4R,7R,8S,11E,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0^{4,15}]pentadeca-1(14),11-diene |
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| Traditional Name | (1E,4R,7R,8S,11E,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0^{4,15}]pentadeca-1(14),11-diene |
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| CAS Registry Number | Not Available |
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| SMILES | COC1O[C@H]2OC[C@H](CCC=C(C)C)[C@@H]3CC\C(C)=C/C\C=C1/[C@@H]23 |
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| InChI Identifier | InChI=1S/C21H32O3/c1-14(2)7-5-9-16-13-23-21-19-17(16)12-11-15(3)8-6-10-18(19)20(22-4)24-21/h7-8,10,16-17,19-21H,5-6,9,11-13H2,1-4H3/b15-8-,18-10+/t16-,17-,19-,20?,21+/m0/s1 |
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| InChI Key | KAYSVGOCNJQKMY-WNPJNBPPSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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